ML RCUT1: Difference between revisions
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Description: This flag sets the cutoff radius for the radial descriptor in the machine learning force field method. | Description: This flag sets the cutoff radius for the radial descriptor in the machine learning force field method. | ||
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The unit of the cut-off radius is given in <math>\AA</math>. | |||
== Related Tags and Sections == | == Related Tags and Sections == | ||
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]] |
Revision as of 15:21, 29 February 2020
ML_FF_RCUT1_MB = [real]
Default: ML_FF_RCUT1_MB = ML_FF_RCUT2_MB
Description: This flag sets the cutoff radius for the radial descriptor in the machine learning force field method.
The unit of the cut-off radius is given in .
Related Tags and Sections
ML_FF_LMLFF, ML_FF_RCUT2_MB, ML_FF_W1_MB, ML_FF_W2_MB